(3E)-4-(butan-2-ylideneamino)penta-1,3-dien-3-ol

C9H15NO — CID 142201906

IUPAC(3E)-4-(butan-2-ylideneamino)penta-1,3-dien-3-ol
SMILESC=C/C(O)=C(C)\N=C(/C)CC
InChIInChI=1S/C9H15NO/c1-5-7(3)10-8(4)9(11)6-2/h6,11H,2,5H2,1,3-4H3/b9-8+,10-7+
InChIKeyYTFUICIHOTZLFQ-DGLUDJRXSA-N
MW153.22 g/mol
LogP2.83
Rot. Bonds3

About (3E)-4-(butan-2-ylideneamino)penta-1,3-dien-3-ol

(3E)-4-(butan-2-ylideneamino)penta-1,3-dien-3-ol (PubChem CID 142201906) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is (3E)-4-(butan-2-ylideneamino)penta-1,3-dien-3-ol.

Molecular Properties

Compound Name(3E)-4-(butan-2-ylideneamino)penta-1,3-dien-3-ol
PubChem CID142201906
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name(3E)-4-(butan-2-ylideneamino)penta-1,3-dien-3-ol
SMILESC=C/C(O)=C(C)\N=C(/C)CC
InChIInChI=1S/C9H15NO/c1-5-7(3)10-8(4)9(11)6-2/h6,11H,2,5H2,1,3-4H3/b9-8+,10-7+
InChIKeyYTFUICIHOTZLFQ-DGLUDJRXSA-N
XLogP2.83
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

ethane;(3E)-4-(methylideneamino)penta-1,3-dien-3-ol
CID 143976518
N-[(Z)-but-2-en-2-yl]butan-2-imine
CID 12603157
N-[(2Z,4E,6Z)-4-ethenylocta-2,4,6-trien-3-yl]butan-2-imine
CID 155717476
(3E)-3-ethylhexa-1,3,5-triene-2,4-diol
CID 143774881
(4Z)-5-(butan-2-ylideneamino)hepta-1,4-dien-3-ol
CID 159305024
N-[(2E,4E)-4-fluoro-3-prop-1-en-2-ylocta-2,4-dien-2-yl]butan-2-imine
CID 145143946
N-[(1Z)-buta-1,3-dienyl]butan-2-imine
CID 142112981
2-(butan-2-ylidenecarbamoylamino)ethyl prop-2-enoate
CID 146640765
1-(butan-2-ylideneamino)ethylidene-dimethylazanium
CID 91175550
hepta-1,3-diene-3,4-diol
CID 140987988
2-methylbuta-1,3-diene;2-methylbut-1-ene
CID 160626231
(3E)-4-(propan-2-ylideneamino)penta-1,3-dien-3-amine
CID 146327197

Frequently Asked Questions

What is the IUPAC name of (3E)-4-(butan-2-ylideneamino)penta-1,3-dien-3-ol?
The IUPAC name of (3E)-4-(butan-2-ylideneamino)penta-1,3-dien-3-ol (CID 142201906) is (3E)-4-(butan-2-ylideneamino)penta-1,3-dien-3-ol.
What is the SMILES notation for (3E)-4-(butan-2-ylideneamino)penta-1,3-dien-3-ol?
The canonical SMILES for (3E)-4-(butan-2-ylideneamino)penta-1,3-dien-3-ol is C=C/C(O)=C(C)\N=C(/C)CC.
What is the InChIKey of (3E)-4-(butan-2-ylideneamino)penta-1,3-dien-3-ol?
The InChIKey is YTFUICIHOTZLFQ-DGLUDJRXSA-N. The full InChI is InChI=1S/C9H15NO/c1-5-7(3)10-8(4)9(11)6-2/h6,11H,2,5H2,1,3-4H3/b9-8+,10-7+.
What are the key properties of (3E)-4-(butan-2-ylideneamino)penta-1,3-dien-3-ol?
(3E)-4-(butan-2-ylideneamino)penta-1,3-dien-3-ol has a molecular weight of 153.22 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-4-(butan-2-ylideneamino)penta-1,3-dien-3-ol is sourced from PubChem (CID 142201906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).